[4-methoxy-1-[(4-trimethylsilylphenyl)methyl]piperidin-2-yl]methanamine

C17H30N2OSi — CID 103438223

IUPAC[4-methoxy-1-[(4-trimethylsilylphenyl)methyl]piperidin-2-yl]methanamine
SMILESCOC1CCN(Cc2ccc([Si](C)(C)C)cc2)C(CN)C1
InChIInChI=1S/C17H30N2OSi/c1-20-16-9-10-19(15(11-16)12-18)13-14-5-7-17(8-6-14)21(2,3)4/h5-8,15-16H,9-13,18H2,1-4H3
InChIKeyDLXHTWLDBMPFDX-UHFFFAOYSA-N
MW306.53 g/mol
LogP2.17
Rot. Bonds5

About [4-methoxy-1-[(4-trimethylsilylphenyl)methyl]piperidin-2-yl]methanamine

[4-methoxy-1-[(4-trimethylsilylphenyl)methyl]piperidin-2-yl]methanamine (PubChem CID 103438223) has the molecular formula C17H30N2OSi and a molecular weight of 306.53 g/mol. Its IUPAC name is [4-methoxy-1-[(4-trimethylsilylphenyl)methyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methoxy-1-[(4-trimethylsilylphenyl)methyl]piperidin-2-yl]methanamine
PubChem CID103438223
Molecular FormulaC17H30N2OSi
Molecular Weight306.53 g/mol
Exact Mass306.21
IUPAC Name[4-methoxy-1-[(4-trimethylsilylphenyl)methyl]piperidin-2-yl]methanamine
SMILESCOC1CCN(Cc2ccc([Si](C)(C)C)cc2)C(CN)C1
InChIInChI=1S/C17H30N2OSi/c1-20-16-9-10-19(15(11-16)12-18)13-14-5-7-17(8-6-14)21(2,3)4/h5-8,15-16H,9-13,18H2,1-4H3
InChIKeyDLXHTWLDBMPFDX-UHFFFAOYSA-N
XLogP2.17
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.53
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120843737
[4-methoxy-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-2-yl]methanamine
CID 115963149
[1-[(4-bromo-3-fluorophenyl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112621961
[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112622518
[1-[(3-chloro-4-pyridinyl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112622776
[1-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120843794
5-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine
CID 120843809
[1-[(5-bromothiophen-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112622693
[1-[(3-fluoro-4-nitrophenyl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 115963575
[4-methoxy-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-2-yl]methanamine
CID 120843786
[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 115963568
[4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine;hydrochloride
CID 120843729

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-1-[(4-trimethylsilylphenyl)methyl]piperidin-2-yl]methanamine?
The IUPAC name of [4-methoxy-1-[(4-trimethylsilylphenyl)methyl]piperidin-2-yl]methanamine (CID 103438223) is [4-methoxy-1-[(4-trimethylsilylphenyl)methyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methoxy-1-[(4-trimethylsilylphenyl)methyl]piperidin-2-yl]methanamine?
The canonical SMILES for [4-methoxy-1-[(4-trimethylsilylphenyl)methyl]piperidin-2-yl]methanamine is COC1CCN(Cc2ccc([Si](C)(C)C)cc2)C(CN)C1.
What is the InChIKey of [4-methoxy-1-[(4-trimethylsilylphenyl)methyl]piperidin-2-yl]methanamine?
The InChIKey is DLXHTWLDBMPFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2OSi/c1-20-16-9-10-19(15(11-16)12-18)13-14-5-7-17(8-6-14)21(2,3)4/h5-8,15-16H,9-13,18H2,1-4H3.
What are the key properties of [4-methoxy-1-[(4-trimethylsilylphenyl)methyl]piperidin-2-yl]methanamine?
[4-methoxy-1-[(4-trimethylsilylphenyl)methyl]piperidin-2-yl]methanamine has a molecular weight of 306.53 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-1-[(4-trimethylsilylphenyl)methyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 103438223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).